1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine

C14H20ClN — CID 104987508

IUPAC1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine
SMILESC=CCCC(NCC)c1cccc(C)c1Cl
InChIInChI=1S/C14H20ClN/c1-4-6-10-13(16-5-2)12-9-7-8-11(3)14(12)15/h4,7-9,13,16H,1,5-6,10H2,2-3H3
InChIKeyHZIYZNPLFMERPX-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.27
Rot. Bonds6

About 1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine

1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine (PubChem CID 104987508) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine
PubChem CID104987508
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine
SMILESC=CCCC(NCC)c1cccc(C)c1Cl
InChIInChI=1S/C14H20ClN/c1-4-6-10-13(16-5-2)12-9-7-8-11(3)14(12)15/h4,7-9,13,16H,1,5-6,10H2,2-3H3
InChIKeyHZIYZNPLFMERPX-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine
CID 114982245
1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine
CID 104987124
1-(2-chloro-3-methylphenyl)-N-ethylpentan-1-amine
CID 115832857
1-(2-chloro-3-methylphenyl)pent-4-en-1-ol
CID 115804889
1-(2-chloro-3-methylphenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 115865374
N-ethyl-1-(4-fluoro-2-methylphenyl)pent-4-en-1-amine
CID 81276354
N-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 104987286
1-(5-chloro-2-methoxyphenyl)-N-ethylpent-4-en-1-amine
CID 104987543
1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine
CID 114982147
1-(2,6-difluorophenyl)-N-ethylpent-4-en-1-amine
CID 79523146
1-(2,5-dichlorothiophen-3-yl)-N-ethylpent-4-en-1-amine
CID 107968368
1-(5-chloro-2-methylphenyl)-N-ethylhex-5-en-1-amine
CID 104987125

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine (CID 104987508) is 1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine is C=CCCC(NCC)c1cccc(C)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine?
The InChIKey is HZIYZNPLFMERPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-4-6-10-13(16-5-2)12-9-7-8-11(3)14(12)15/h4,7-9,13,16H,1,5-6,10H2,2-3H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine?
1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine has a molecular weight of 237.77 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine is sourced from PubChem (CID 104987508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).